6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide

C22H30N4O2 — CID 139254192

IUPAC6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(-n2nc(CC(C)C)c3c2CC(C)(C)CC3=O)nc1
InChIInChI=1S/C22H30N4O2/c1-6-9-23-21(28)15-7-8-19(24-13-15)26-17-11-22(4,5)12-18(27)20(17)16(25-26)10-14(2)3/h7-8,13-14H,6,9-12H2,1-5H3,(H,23,28)
InChIKeyNVSJSSJVFCLYGM-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.76
Rot. Bonds6

About 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide

6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide (PubChem CID 139254192) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide
PubChem CID139254192
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(-n2nc(CC(C)C)c3c2CC(C)(C)CC3=O)nc1
InChIInChI=1S/C22H30N4O2/c1-6-9-23-21(28)15-7-8-19(24-13-15)26-17-11-22(4,5)12-18(27)20(17)16(25-26)10-14(2)3/h7-8,13-14H,6,9-12H2,1-5H3,(H,23,28)
InChIKeyNVSJSSJVFCLYGM-UHFFFAOYSA-N
XLogP3.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide (CID 139254192) is 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(-n2nc(CC(C)C)c3c2CC(C)(C)CC3=O)nc1.
What is the InChIKey of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide?
The InChIKey is NVSJSSJVFCLYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-6-9-23-21(28)15-7-8-19(24-13-15)26-17-11-22(4,5)12-18(27)20(17)16(25-26)10-14(2)3/h7-8,13-14H,6,9-12H2,1-5H3,(H,23,28).
What are the key properties of 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide?
6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 139254192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).